3-piperidin-1-ium-1-ylpropyl-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: 3-piperidin-1-ium-1-ylpropyl-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: 3-(1-piperidin-1-iumyl)propyl-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: 3-piperidin-1-ium-1-ylpropyl-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: 3-piperidin-1-ium-1-ylpropyl-(2-propargyloxybenzyl)ammonium Formula: C18H28N2O+2 MolecularWeight: 288.42772

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

C#CCOC1=CC=CC=C1C[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C18H26N2O/c1-2-15-21-18-10-5-4-9-17(18)16-19-11-8-14-20-12-6-3-7-13-20/h1,4-5,9-10,19H,3,6-8,11-16H2/p+2